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DocumentationIdentifier: MM97876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97876 |
| SMILES |
CNCC(N)CO
|
| InChIKey |
JILLBSYVFXHBBT-UHFFFAOYSA-N
|
| MW [Da] |
104.15
Automatically obtained from RDkit software. |
| LogP |
-1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112577
Similarity: 0.7778
Similarity to MM112577
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104178
Similarity: 0.75
Similarity to MM104178
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115918
Similarity: 0.7368
Similarity to MM115918
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+537 more
